SCHEMBL412300

SCHEMBL412300

Cc1cccc(-c2nn3ccccc3c2-c2ccnc3ccc(C(=O)NCCN(C)C)cc23)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.70
KDR P35968 3/20 0.49
TGFBR2 P37173 2/20 0.49
GAK O14976 1/20 0.49
RIPK2 O43353 1/20 0.49
MAP4K4 O95819 1/20 0.49
ACVR1B P36896 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
TGFB2 P61812 1/20 0.49
MAPK14 Q16539 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
COQ8A Q8NI60 1/20 0.49
TNIK Q9UKE5 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
TOP2A P11388 3/20 0.44
TP53 P04637 1/20 0.43
ACSS2 Q9NR19 1/20 0.41
HTR6 P50406 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL412319 0.94 TGFBR1 (0.61) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL412491 0.90 TGFBR1 (0.57) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL5235742 0.87 TGFBR1 (0.54) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL414681 0.85 TGFBR1 (0.51) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL4871999 0.85 TGFBR1 (0.59) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL413521 0.84 TGFBR1 (0.66) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL413710 0.84 TGFBR1 (0.49) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL411796 0.82 TGFBR1 (0.48) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL373668 0.82 TGFBR1 (1.00) TGFBR1KDRTGFBR2GAKRIPK2
SCHEMBL413597 0.82 TGFBR1 (0.48) TGFBR1KDRTGFBR2GAKRIPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed